1-[(E)-pent-3-enyl]-2-propylguanidine

C9H19N3 — CID 115679577

IUPAC1-[(E)-pent-3-enyl]-2-propylguanidine
SMILESC/C=C/CCN/C(N)=N/CCC
InChIInChI=1S/C9H19N3/c1-3-5-6-8-12-9(10)11-7-4-2/h3,5H,4,6-8H2,1-2H3,(H3,10,11,12)/b5-3+
InChIKeyXLJMKXSQDRXVBT-HWKANZROSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds5

About 1-[(E)-pent-3-enyl]-2-propylguanidine

1-[(E)-pent-3-enyl]-2-propylguanidine (PubChem CID 115679577) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-2-propylguanidine
PubChem CID115679577
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-[(E)-pent-3-enyl]-2-propylguanidine
SMILESC/C=C/CCN/C(N)=N/CCC
InChIInChI=1S/C9H19N3/c1-3-5-6-8-12-9(10)11-7-4-2/h3,5H,4,6-8H2,1-2H3,(H3,10,11,12)/b5-3+
InChIKeyXLJMKXSQDRXVBT-HWKANZROSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986500
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986504
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
1-But-3-enyl-2-methylguanidine
CID 116035410
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
CID 123617636

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]-2-propylguanidine?
The IUPAC name of 1-[(E)-pent-3-enyl]-2-propylguanidine (CID 115679577) is 1-[(E)-pent-3-enyl]-2-propylguanidine.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-2-propylguanidine?
The canonical SMILES for 1-[(E)-pent-3-enyl]-2-propylguanidine is C/C=C/CCN/C(N)=N/CCC.
What is the InChIKey of 1-[(E)-pent-3-enyl]-2-propylguanidine?
The InChIKey is XLJMKXSQDRXVBT-HWKANZROSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-6-8-12-9(10)11-7-4-2/h3,5H,4,6-8H2,1-2H3,(H3,10,11,12)/b5-3+.
What are the key properties of 1-[(E)-pent-3-enyl]-2-propylguanidine?
1-[(E)-pent-3-enyl]-2-propylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]-2-propylguanidine is sourced from PubChem (CID 115679577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).